%chk=000252092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252092

0 1
S -3.695990 1.170145 0.591287
O 0.855475 3.452547 -0.512030
O 3.013458 2.844097 0.000436
O 0.934279 0.344024 0.487714
O -2.218417 1.003648 -0.243267
O 4.596228 -0.809458 1.097633
O -4.302382 2.368983 0.079124
O -3.338843 1.071405 1.985999
O 4.263265 -4.250845 -1.902584
N 2.837126 -0.737892 -0.406867
N 4.442143 -2.543329 -0.419156
C 1.028272 2.159791 -1.100960
C 2.477851 1.741168 -0.727262
C 0.107582 1.094107 -0.463111
C 2.325321 0.519425 0.222796
C 1.937539 3.735973 0.427935
C -1.069846 1.639990 0.342751
C 2.390224 5.154528 0.174782
C 1.512517 3.403219 1.840204
C 4.015740 -1.338763 0.172313
C 2.127539 -1.383996 -1.431046
C 2.564050 -2.546348 -1.970027
C 3.768537 -3.220432 -1.505710
C -4.493590 -0.230252 0.025909
C -4.320968 -1.452866 0.690507
C -5.322083 -0.161042 -1.101747
C -4.967764 -2.597170 0.230375
C -5.971588 -1.303655 -1.566454
C -5.798216 -2.532000 -0.904580
C -6.488672 -3.760971 -1.388451
H 0.829577 2.313615 -2.178899
H 3.177446 1.580124 -1.568867
H -0.250680 0.351402 -1.215389
H 2.821492 0.666858 1.220315
H -1.175364 2.740248 0.234266
H -0.988151 1.358176 1.415653
H 2.962864 5.562560 1.016509
H 3.033636 5.209936 -0.716606
H 1.528100 5.812915 -0.006680
H 2.357498 3.482139 2.538206
H 0.722610 4.079596 2.192266
H 1.123565 2.377755 1.925431
H 1.204310 -0.890168 -1.765896
H 5.293475 -2.976322 -0.029882
H 2.029963 -3.047510 -2.778508
H -3.680920 -1.509239 1.579241
H -5.466872 0.795698 -1.618471
H -4.831943 -3.544457 0.750534
H -6.615343 -1.241753 -2.442614
H -7.038073 -3.607436 -2.327500
H -5.777839 -4.583005 -1.564829
H -7.218242 -4.125269 -0.647688


%chk=000252092-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252092

0 1
S -3.552166 1.849772 -0.362221
O 1.403269 3.717162 -0.293111
O 2.641427 2.180025 0.994911
O -0.051655 0.831987 -0.295288
O -2.287884 2.031217 -1.794507
O 0.585452 -2.192305 1.046044
O -4.936802 2.473711 -0.910019
O -2.832503 2.459239 0.962880
O 2.073777 -4.517255 -2.724739
N 1.568931 -0.942220 -0.702163
N 1.376987 -3.303732 -0.852110
C 1.489832 2.500745 -1.107392
C 2.278904 1.465982 -0.224444
C 0.122502 1.824313 -1.393829
C 1.273603 0.307995 0.046894
C 1.804653 3.416884 1.113722
C -1.081365 2.766779 -1.402373
C 2.710244 4.544742 1.597094
C 0.580586 3.170587 2.002796
C 1.136108 -2.157289 -0.087223
C 2.099963 -0.945146 -1.995060
C 2.296686 -2.089736 -2.723881
C 1.938006 -3.393741 -2.167255
C -3.725230 -0.011566 -0.237520
C -2.735338 -0.736370 0.446935
C -4.861071 -0.593400 -0.821695
C -2.907101 -2.132311 0.547910
C -5.006544 -1.993745 -0.700517
C -4.039131 -2.779148 -0.020268
C -4.205273 -4.281912 0.106525
H 2.010785 2.779289 -2.039483
H 3.223695 1.112260 -0.668500
H 0.165972 1.280422 -2.361223
H 1.242161 0.036248 1.111990
H -0.935567 3.570680 -2.147452
H -1.207294 3.230734 -0.404983
H 3.083342 4.320191 2.610506
H 3.566859 4.660292 0.914453
H 2.145161 5.491331 1.630542
H 0.912973 2.897545 3.019335
H -0.025687 4.090583 2.068892
H -0.061030 2.367161 1.606920
H 2.368194 0.029961 -2.407461
H 1.097600 -4.189217 -0.416786
H 2.720196 -2.058266 -3.727819
H -1.859141 -0.240999 0.870591
H -5.603978 0.023191 -1.336987
H -2.140051 -2.715091 1.070742
H -5.884586 -2.478324 -1.141582
H -5.107931 -4.639117 -0.416694
H -3.334163 -4.816439 -0.315393
H -4.286486 -4.583806 1.167397


